2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(4-methyl-5-thiazol-3-iumyl)ethyl ester IUPAC Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(4-methylthiazol-3-ium-5-yl)ethyl ester Formula: C13H13N2O4S+ MolecularWeight: 293.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[NH+]1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=[NH+]1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c1-9-12(20-8-14-9)6-7-19-13(16)10-2-4-11(5-3-10)15(17)18/h2-5,8H,6-7H2,1H3/p+1